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Verachem Xprt Software
9 software items found
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
Fast protein-ligand docking and scoring software package with user friendly graphical ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
A comprehensive free energy software package for computer-aided drug discovery and molecular ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VConf is a powerful and flexible conformational search application which processes an SD file of drug-like compounds containing an initial 2D or 3D conformation of each molecule. It provides for two major modes of ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VDraw is an intuitive 2D chemical drawing application. It has a wide range of templates, which simplifies the drawing of complex molecules. VDraw also supports the loading of an SD file and editing a previously generated chemical structure. VDraw 2D structures can, with a single click, be sent to Vconf for 2D to 3D conversion and conformational ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VFilter analyzes multiple conformations of a molecule and removes conformations that are identical to within user-specified tolerances. Both global and local chemical symmetries are accounted for when comparing a pair of conformations. For example, if two conformations differ only by a 180º rotation of a benzene ring, the local symmetry of the benzene is detected and applied so that the two ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
Vrms provides the symmetry-corrected root-mean-square deviation (RMSD) between a series of test conformations of a drug-like molecule and a reference conformation. Two modes of operation are ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VCharge provides fast, easy access to accurate partial charges for virtually any drug-like compound. It is thus valuable in a wide range of modeling and QSAR applications. VCharge is available for Linux and Microsoft Windows. A convenient Windows viewer VDisplay is available for free download along with VCharge. Easy access to fast, accurate partial atomic charges of drug-like molecules Valuable ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VDisplay is a freely available 3D molecular viewer which reads the SDfiles produced by VCharge and VConf provides an easy, graphical way to view the results on a Windows computer. VDisplay can also read and display SDfiles produced by other programs. VDisplay allows the user to step through molecules in the SDfile one by one, or jump to a specific molecule via a simple name search. A range of ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
Superimpose related ligand series on reference structure Reference can be co-xtal PDB, sdf, mol, crd Handles arbitrary atom orderings. Provides excellent VM2/docking starting structures. VMap is an application to superimpose related ligands (e.g. common scaffold atoms; different R-groups) on a reference molecule. The reference can be, for example, a co-crystalized ligand taken from a protein PDB ...